4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole

C17H13ClN2S — CID 91281047

IUPAC4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole
SMILESClc1ccccc1-c1csc(-c2cnccc2C2CC2)n1
InChIInChI=1S/C17H13ClN2S/c18-15-4-2-1-3-13(15)16-10-21-17(20-16)14-9-19-8-7-12(14)11-5-6-11/h1-4,7-11H,5-6H2
InChIKeyXPJGQWRHHYZVCK-UHFFFAOYSA-N
MW312.83 g/mol
LogP5.40
Rot. Bonds3

About 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole

4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole (PubChem CID 91281047) has the molecular formula C17H13ClN2S and a molecular weight of 312.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole
PubChem CID91281047
Molecular FormulaC17H13ClN2S
Molecular Weight312.83 g/mol
Exact Mass312.05
IUPAC Name4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole
SMILESClc1ccccc1-c1csc(-c2cnccc2C2CC2)n1
InChIInChI=1S/C17H13ClN2S/c18-15-4-2-1-3-13(15)16-10-21-17(20-16)14-9-19-8-7-12(14)11-5-6-11/h1-4,7-11H,5-6H2
InChIKeyXPJGQWRHHYZVCK-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.83
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole (CID 91281047) is 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole is Clc1ccccc1-c1csc(-c2cnccc2C2CC2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is XPJGQWRHHYZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2S/c18-15-4-2-1-3-13(15)16-10-21-17(20-16)14-9-19-8-7-12(14)11-5-6-11/h1-4,7-11H,5-6H2.
What are the key properties of 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole?
4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 312.83 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 91281047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).